COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064090
Chemical Name: ethyl(1-{[(3-bromo-4-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Smiles: CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(c(c1)Br)C

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Molecular Weight: 442.33
Empirical Formula: C17H20BrN3O4S

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 0.967
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 119
Number of rings: 2

     

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